Geometry & MOs

Info

ID:	401079
PubChem CID:	135050038
Reduced:	SO2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	463.101565
ΔH_f, kcal/mol:	-104.06
Dipole, Da:	1.86
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(=C(S1)C(C)C)C(=O)OCC)C2=CC=CC=C2

DOS

IR

Vibrations